Paraxanthine
CAS Registry Number®
611-59-6
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CAS Name
ParaxanthineMolecular Formula
C7H8N4O2Molecular Mass
180.16Cite this Page
Paraxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=611-59-6 (retrieved ) (CAS RN: 611-59-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
297-299 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey
InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N
SMILES
O=C1C2=C(NC(=O)N1C)N=CN2C
Canonical SMILES
O=C1NC=2N=CN(C2C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
- Paraxanthine
- 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
- 1,7-Dimethylxanthine
- NSC 400018
